SCHEMBL20079375

SCHEMBL20079375

CC(C)n1c(=S)[nH]c2cccc(C#N)c21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
PSMB8 P28062 2/20 0.43
XDH P47989 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PGR P06401 3/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP2K1 Q02750 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18358718 0.83 PSMB8 (0.58) ALDH1A1HPGDL3MBTL1MAPTPSMB8
SCHEMBL20079383 0.82 POLB (0.51) ALDH1A1L3MBTL1PGRPOLB
SCHEMBL20656265 0.81 ALDH1A1 (0.43) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079416 0.74 ALDH1A1 (0.42) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL21076079 0.72 CA1 (0.39) ALDH1A1HPGDMAPTPOLBKDM4E
SCHEMBL20656264 0.70 MAPT (0.61) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL13599975 0.68 ALDH1A1 (1.00) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079415 0.68 MAPT (0.42) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079372 0.68 PGR (0.49) ALDH1A1HPGDL3MBTL1MAPTTHRB
SCHEMBL20079368 0.67 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1MAPTTHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION ALGOMEDIX INC (US) 2020-06-11 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION TRPA1, TRPV1, TRPV2 ALDH1A1 2926/4885HPGD 1793/4885L3MBTL1 4759/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.